2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20194-67-6

    Molecular formula
    C13H20O2

    SMILES
    CC1CC=C2C(CC(=O)CC2(O1)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.26%
    Floral 51.56%
    Sweet 50.74%
    Tobacco 48.91%
    Fruity 46.44%
    Herbal 46.03%
    Mint 43.68%
    Camphoreous 38.77%
    Fresh 37.95%
    Spicy 35.12%

     

    Flavor
    Woody 53.47%
    Minty 47.01%
    Herbal 46.71%
    Fruity 45.49%
    Green 41.34%
    Tobacco 41.21%
    Camphor 36.16%
    Earthy 35.13%
    Musty 32.56%
    Sweet 29.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.88 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Flash point

    • 117.84 ˚C est.

  • Synonyms

    • 2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one
    • 398TLU6EO0
    • UNII-398TLU6EO0
    • 1,3,7,7-Tetramethyl-2-oxabicyclo(4.4.0)dec-5-ene-9-one
    • 2,3,6,7,8,8a-Hexahydro-7-oxo-2,5,5,8a-tetramethyl-5H-1-benzopyran
    • 5H-1-Benzopyran-7-one, 2,3,6,7,8,8a-hexahydro-2,5,5,8a-tetramethyl-
    • 7H-1-Benzopyran-7-one, 2,3,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-
    • 2,5,5,8a-tetramethyl-2,3,6,8-tetrahydrochromen-7-one
    • 2,5,5,8a-tetramethyl-3,5,6,7,8,8a-hexahydro-2H-1-benzopyran-7-one
    • RefChem:81348
    • 20194-67-6
    • 3,4-Dihydro-3-oxoedulan
    • SCHEMBL30229456
    • CHEBI:197265
    • 1,3,7,7-Tetramethyl-9-oxo-2-oxabicyclo[4.4.0]dec-5-ene
    • DTXSID601167637
    • 2,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-chromen-7-one
    • 2,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-1-benzopyran-7-one
    • 2,5,5,8a-Tetramethyl-2,3,5,6,8,8a-hexahydro-7H-chromen-7-one #
    • 20194-67-6

  • Applications

    2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one (CAS 20194-67-6) is primarily used as a fragrance ingredient and fragrance-chemical intermediate in the perfumery industry, where it can act as an odorant and/or a fixative to help retain scents in perfumes and related products. In cosmetics and personal care, it is considered as an aroma ingredient added to formulations to achieve a desired scent profile. In household products and cleaning agents, it may contribute to a fresh, stable fragrance in detergents and cleaners. In industrial manufacturing, it can be used as a precursor or intermediate for fragrance compounds and other specialty chemicals, or as a building block in certain polymer or coating-related formulations. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 69.3
    methanol 134.76
    isopropanol 49.4
    water 3.57
    ethyl acetate 209.67
    n-propanol 70.02
    acetone 176.71
    n-butanol 61.9
    acetonitrile 289.76
    DMF 303.97
    toluene 276.72
    isobutanol 59.98
    1,4-dioxane 405.79
    methyl acetate 225.43
    THF 505.14
    2-butanone 159.32
    n-pentanol 47.77
    sec-butanol 56.48
    n-hexane 24.16
    ethylene glycol 30.69
    NMP 576.16
    cyclohexane 86.21
    DMSO 157.46
    n-butyl acetate 144.17
    n-octanol 71.99
    chloroform 724.77
    n-propyl acetate 108.35
    acetic acid 178.52
    dichloromethane 645.45
    cyclohexanone 384.96
    propylene glycol 32.89
    isopropyl acetate 114.58
    DMAc 303.95
    2-ethoxyethanol 69.81
    isopentanol 54.26
    n-heptane 28.65
    ethyl formate 161.22
    1,2-dichloroethane 265.73
    n-hexanol 108.91
    2-methoxyethanol 141.5
    isobutyl acetate 76.51
    tetrachloromethane 117.99
    n-pentyl acetate 109.24
    transcutol 327.39
    n-heptanol 53.99
    ethylbenzene 105.1
    MIBK 86.66
    2-propoxyethanol 183.58
    tert-butanol 65.87
    MTBE 70.91
    2-butoxyethanol 81.65
    propionic acid 133.45
    o-xylene 165.22
    formic acid 79.67
    diethyl ether 103.7
    m-xylene 178.87
    p-xylene 140.75
    chlorobenzene 313.65
    dimethyl carbonate 135.23
    n-octane 11.38
    formamide 103.84
    cyclopentanone 407.03
    2-pentanone 125.38
    anisole 178.95
    cyclopentyl methyl ether 249.97
    gamma-butyrolactone 573.23
    1-methoxy-2-propanol 99.15
    pyridine 394.05
    3-pentanone 141.31
    furfural 490.23
    n-dodecane 12.0
    diethylene glycol 137.67
    diisopropyl ether 42.59
    tert-amyl alcohol 58.63
    acetylacetone 213.47
    n-hexadecane 14.1
    acetophenone 171.83
    methyl propionate 196.68
    isopentyl acetate 117.75
    trichloroethylene 624.44
    n-nonanol 64.01
    cyclohexanol 133.77
    benzyl alcohol 121.24
    2-ethylhexanol 77.03
    isooctanol 45.18
    dipropyl ether 90.04
    1,2-dichlorobenzene 283.66
    ethyl lactate 72.28
    propylene carbonate 333.49
    n-methylformamide 184.92
    2-pentanol 42.88
    n-pentane 23.3
    1-propoxy-2-propanol 112.92
    1-methoxy-2-propyl acetate 175.19
    2-(2-methoxypropoxy) propanol 132.32
    mesitylene 100.91
    ε-caprolactone 359.97
    p-cymene 81.67
    epichlorohydrin 412.79
    1,1,1-trichloroethane 309.42
    2-aminoethanol 50.67
    morpholine-4-carbaldehyde 500.63
    sulfolane 434.6
    2,2,4-trimethylpentane 14.41
    2-methyltetrahydrofuran 323.34
    n-hexyl acetate 181.31
    isooctane 9.95
    2-(2-butoxyethoxy)ethanol 140.01
    sec-butyl acetate 80.06
    tert-butyl acetate 107.69
    decalin 37.28
    glycerin 54.72
    diglyme 261.9
    acrylic acid 150.43
    isopropyl myristate 74.17
    n-butyric acid 139.66
    acetyl acetate 214.3
    di(2-ethylhexyl) phthalate 96.33
    ethyl propionate 130.75
    nitromethane 412.11
    1,2-diethoxyethane 124.51
    benzonitrile 259.21
    trioctyl phosphate 59.42
    1-bromopropane 150.98
    gamma-valerolactone 520.63
    n-decanol 49.37
    triethyl phosphate 88.08
    4-methyl-2-pentanol 32.43
    propionitrile 179.84
    vinylene carbonate 391.52
    1,1,2-trichlorotrifluoroethane 243.09
    DMS 219.26
    cumene 73.51
    2-octanol 41.15
    2-hexanone 94.12
    octyl acetate 96.71
    limonene 106.0
    1,2-dimethoxyethane 182.4
    ethyl orthosilicate 77.0
    tributyl phosphate 78.16
    diacetone alcohol 101.68
    N,N-dimethylaniline 126.46
    acrylonitrile 250.13
    aniline 189.01
    1,3-propanediol 58.55
    bromobenzene 345.57
    dibromomethane 376.54
    1,1,2,2-tetrachloroethane 395.09
    2-methyl-cyclohexyl acetate 125.6
    tetrabutyl urea 101.65
    diisobutyl methanol 45.28
    2-phenylethanol 157.24
    styrene 121.99
    dioctyl adipate 117.81
    dimethyl sulfate 182.05
    ethyl butyrate 121.93
    methyl lactate 92.34
    butyl lactate 85.95
    diethyl carbonate 106.1
    propanediol butyl ether 85.06
    triethyl orthoformate 95.48
    p-tert-butyltoluene 77.48
    methyl 4-tert-butylbenzoate 166.22
    morpholine 343.49
    tert-butylamine 51.56
    n-dodecanol 40.22
    dimethoxymethane 221.65
    ethylene carbonate 298.16
    cyrene 164.42
    2-ethoxyethyl acetate 158.52
    2-ethylhexyl acetate 113.52
    1,2,4-trichlorobenzene 323.99
    4-methylpyridine 372.82
    dibutyl ether 77.19
    2,6-dimethyl-4-heptanol 45.28
    DEF 182.58
    dimethyl isosorbide 296.31
    tetrachloroethylene 281.87
    eugenol 145.17
    triacetin 207.55
    span 80 122.39
    1,4-butanediol 29.41
    1,1-dichloroethane 254.59
    2-methyl-1-pentanol 50.93
    methyl formate 202.88
    2-methyl-1-butanol 60.49
    n-decane 19.36
    butyronitrile 146.29
    3,7-dimethyl-1-octanol 69.17
    1-chlorooctane 68.96
    1-chlorotetradecane 32.89
    n-nonane 18.4
    undecane 14.8
    tert-butylcyclohexane 25.8
    cyclooctane 31.7
    cyclopentanol 135.75
    tetrahydropyran 301.89
    tert-amyl methyl ether 73.42
    2,5,8-trioxanonane 208.99
    1-hexene 54.68
    2-isopropoxyethanol 54.69
    2,2,2-trifluoroethanol 102.69
    methyl butyrate 142.66

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction